SCHEMBL406149

SCHEMBL406149

COc1cccc(CCc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.59
KDM4E B2RXH2 1/20 0.57
RECQL P46063 1/20 0.57
CSNK2A2 P19784 3/20 0.54
CSNK2A1 P68400 2/20 0.54
MMP13 P45452 2/20 0.53
HDAC1 Q13547 1/20 0.48
HCAR3 P49019 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
DHODH Q02127 1/20 0.46
CSNK2B P67870 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL404509 0.94 PDE5A (0.57) PDE5AKDM4ERECQLCSNK2A2CSNK2A1
SCHEMBL401645 0.91 PDE5A (0.72) PDE5AKDM4ERECQLCSNK2A2CSNK2A1
SCHEMBL28206580 0.86 PDE10A (0.56) KDM4EMMP13HCAR2TUBB4ATUBB
SCHEMBL439184 0.85 KDM4E (0.68) PDE5AKDM4ERECQLTUBB4ATUBB
SCHEMBL405463 0.84 KDM4E (0.58) PDE5AKDM4ERECQLUSP2ALDH1A1
SCHEMBL400846 0.84 PDE5A (0.82) PDE5AKDM4ERECQLCSNK2A2CSNK2A1
SCHEMBL402059 0.83 PDE5A (0.61) PDE5AKDM4ERECQLMMP13HCAR3
Anisole SCHEMBL27750887 0.83 KDM4E (0.61) PDE5AKDM4ERECQLPARP1USP2
SCHEMBL399659 0.81 PDE5A (0.59) PDE5AKDM4ERECQLCSNK2A1MMP13
SCHEMBL403999 0.81 PDE5A (0.63) PDE5AKDM4ERECQLADORA3USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP disclosed
CN-101501007-B Quinazoline derivative ASKA PARMACEUTICAL CO LTD 2014-01-29 CN disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN disclosed
CN-101501007-A Quinazoline derivative ASKA PARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE5A 14/4885KDM4E 4291/4885RECQL 878/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885KDM4E 2869/4885RECQL 100/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.